| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:01 UTC |
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| Update Date | 2025-03-21 18:06:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064552 |
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| Frequency | 47.6 |
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| Structure | |
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| Chemical Formula | C7H8N2O2 |
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| Molecular Mass | 152.0586 |
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| SMILES | CNc1ccc(C(=O)O)cn1 |
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| InChI Key | YDKUKBAONMWJHB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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